Wogonoside - ≥98% , CAS No.51059-44-0

CAS: 51059-44-0 Cat. No.: W463931 분자식: C₂₂H₂₀O₁₁ 분자량: 460.4 EC 번호: 803-881-7 PubChem CID: 3084961

등급 & 순도 ≥98%

Synonyms

5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | WOGONIN 7-O-.BETA.-D-GLUCURONIDE | AKOS015897144 | ETX4944Z3R | ACon1_000851 | DTXCID10121553 | Wogonin 7-O-glucuronide | 5,7-dihydroxy-8-methoxyflavone 7-O-beta-D-glucu

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Description

Natural product derived from plant source.

사양

동의어

5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | WOGONIN 7-O-.BETA.-D-GLUCURONIDE | AKOS015897144 | ETX4944Z3R | ACon1_000851 | DTXCID10121553 | Wogonin 7-O-glucuronide | 5,7-dihydroxy-8-methoxyflavone 7-O-beta-D-glucu

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

InChIKey

LNOHXHDWGCMVCO-NTKSAMNMSA-N

INCHI

1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1

이성체 SMILES

COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

PubChem CID

3084961

분자량

460.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid O-glucuronides
            • Level7 Flavonoid-7-O-glucuronides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides - Flavonoid O-glucuronides
• Direct Parent: Flavonoid-7-O-glucuronides
• Alternative Parents: Flavonoid-7-O-glycosides 8-O-methylated flavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides O-glycosyl compounds Chromones Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Monosaccharides Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 8-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Anisole - Pyranone - Alkyl aryl ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.
• External Descriptors: monosaccharide derivative - beta-D-glucosiduronic acid - monomethoxyflavone - glycosyloxyflavone - monohydroxyflavone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(비인간)

Trypsin (394 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive；light sensitive
• 분자량: 460.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 460.101 Da
• Monoisotopic Mass: 460.101 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 763.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1